Fagaramide

Fagaramide
Names
	Preferred IUPAC name (2E)-3-(2H-1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide
	Other names trans-Fagaramide; N-Isobutyl-3,4-methylenedioxy-trans-cinnamamide;
Identifiers
CAS Number	495-86-3 trans isomer; 60045-88-7 unspecified stereochemistry;
3D model (JSmol)	Interactive image;
3DMet	B03942;
ChEBI	CHEBI:4966;
ChEMBL	ChEMBL252709;
ChemSpider	4445085;
KEGG	C10455;
PubChem CID	5281772;
CompTox Dashboard (EPA)	DTXSID001318385 ;
	InChI InChI=1S/C14H17NO3/c1-10(2)8-15-14(16)6-4-11-3-5-12-13(7-11)18-9-17-12/h3-7,10H,8-9H2,1-2H3,(H,15,16)/b6-4+ Key: WKWYNAMJWDRHBP-GQCTYLIASA-N;
	SMILES CC(C)CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2;
Properties
Chemical formula	C14H17NO3
Molar mass	247.294 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Fagaramide is a naturally occurring compound found in various species of Zanthoxylum plants. It, and analogs based on its skeleton, have been investigated for various biological effects. The relatively simple structure and ease of synthesis have allowed production of libraries of related compounds.^[1]

References

^ Tomas, Melissa Barrera; Shiao, Tze Chieh; Nguyen, Phuong Trang; Bourgault, Steve; Roy, René (2018). "Synthesis of Analogs of ''Trans-Fagaramide and Their Cytotoxic Activity". Pharmaceutical Chemistry Journal. 51 (11): 995–1004. doi:10.1007/s11094-018-1729-1. S2CID 3359743.

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[1] Tomas, Melissa Barrera; Shiao, Tze Chieh; Nguyen, Phuong Trang; Bourgault, Steve; Roy, René (2018). "Synthesis of Analogs of ''Trans-Fagaramide and Their Cytotoxic Activity". Pharmaceutical Chemistry Journal. 51 (11): 995–1004. doi:10.1007/s11094-018-1729-1. S2CID 3359743.

[1]

Names

Preferred IUPAC name (2E)-3-(2H-1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide
Other names trans-Fagaramide N-Isobutyl-3,4-methylenedioxy-trans-cinnamamide
Identifiers
CAS Number	495-86-3 trans isomer 60045-88-7 unspecified stereochemistry
3D model (JSmol)	Interactive image
3DMet	B03942
ChEBI	CHEBI:4966
ChEMBL	ChEMBL252709
ChemSpider	4445085
KEGG	C10455
PubChem CID	5281772
CompTox Dashboard (EPA)	DTXSID001318385
InChI InChI=1S/C14H17NO3/c1-10(2)8-15-14(16)6-4-11-3-5-12-13(7-11)18-9-17-12/h3-7,10H,8-9H2,1-2H3,(H,15,16)/b6-4+ Key: WKWYNAMJWDRHBP-GQCTYLIASA-N
SMILES CC(C)CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2
Properties
Chemical formula	C₁₄H₁₇NO₃
Molar mass	247.294 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references